CID 198496

Nsc 333196

Structural Information

Molecular Formula
C8H8N4S2
SMILES
C1=CC2=NSN=C2C=C1CSC(=N)N
InChI
InChI=1S/C8H8N4S2/c9-8(10)13-4-5-1-2-6-7(3-5)12-14-11-6/h1-3H,4H2,(H3,9,10)
InChIKey
VAMAWCQKDQNWBS-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-5-ylmethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.01904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02632 140.9
[M+Na]+ 247.00826 151.6
[M-H]- 223.01176 143.0
[M+NH4]+ 242.05286 159.8
[M+K]+ 262.98220 146.0
[M+H-H2O]+ 207.01630 134.8
[M+HCOO]- 269.01724 155.1
[M+CH3COO]- 283.03289 153.5
[M+Na-2H]- 244.99371 144.7
[M]+ 224.01849 142.6
[M]- 224.01959 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.